The mechanical performance of structural materials is governed by their microstructure, which is itself set by the thermal history imposed during processing. Predicting how that microstructure evolves along an arbitrary thermal trajectory, however, remains a challenging problem. Conventional continuous-cooling-transfor...
I. Kouroudis, Niki Balestrieri, S. Rotzsche et al.· 0 citations
This paper proposes a framework that combines a Variational Autoencoder, with a convolutional or graph basis that reduces the dimensionality of the system, and provides an inbuilt uncertainty quantification for targeted experiment design.
Marco Jochum, I. Kouroudis, G. Siddiqui et al.· 0 citations
Despite extensive investigation of metal-organic framework (MOF) derived materials over the last 20 years, no systematic approach to predict the structural properties of the derived metal oxides is available. We present an integrated machine learning (ML) approach leveraging Smooth Overlap of Atomic Positions (SOAP) an...
David Gryc, I. Kouroudis, Pritam Banerjee et al.· npj Computational Materials· 1 citation
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